CAS 924861-98-3

4-Amino-5-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Description:

4-Amino-5-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound features an amino group and a benzodioxole moiety, contributing to its potential biological activity. The presence of the thione functional group (a sulfur atom double-bonded to a carbon atom) indicates that it may exhibit properties typical of thioketones, such as reactivity in nucleophilic substitution reactions. The compound's molecular structure suggests it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential interactions with biological targets. Additionally, the benzodioxole fragment may enhance lipophilicity and bioavailability. As with many triazole derivatives, it may also exhibit antifungal or antimicrobial properties, making it of interest in various fields, including agriculture and medicine. However, specific biological activities and safety profiles would require further investigation through empirical studies.

Formula: C₁₀H₁₀N₄O₂S

InChI: InChI=1S/C10H10N4O2S/c11-14-9(12-13-10(14)17)4-6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5,11H2,(H,13,17)

InChI key: InChIKey=POCZFMYWYDZMSI-UHFFFAOYSA-N

SMILES: C(C=1C=C2C(=CC1)OCO2)C=3N(N)C(=S)NN3

Synonyms:

• 4-Amino-5-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• 3H-1,2,4-Triazole-3-thione, 4-amino-5-(1,3-benzodioxol-5-ylmethyl)-2,4-dihydro-